7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine

C11H10N6 — CID 90703154

IUPAC7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2ccn(-c3cccnc3)c2n1
InChIInChI=1S/C11H10N6/c12-9-8-3-5-17(7-2-1-4-14-6-7)10(8)16-11(13)15-9/h1-6H,(H4,12,13,15,16)
InChIKeyPOGRBCCJELLZFW-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.98
Rot. Bonds1

About 7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine

7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 90703154) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID90703154
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2ccn(-c3cccnc3)c2n1
InChIInChI=1S/C11H10N6/c12-9-8-3-5-17(7-2-1-4-14-6-7)10(8)16-11(13)15-9/h1-6H,(H4,12,13,15,16)
InChIKeyPOGRBCCJELLZFW-UHFFFAOYSA-N
XLogP0.98
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 90703154) is 7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2ccn(-c3cccnc3)c2n1.
What is the InChIKey of 7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is POGRBCCJELLZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-9-8-3-5-17(7-2-1-4-14-6-7)10(8)16-11(13)15-9/h1-6H,(H4,12,13,15,16).
What are the key properties of 7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 226.24 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 90703154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).